SCHEMBL8490238

SCHEMBL8490238

Cc1c(C)c2c(c(C)c1O)C=CC(C)(CCl)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 4/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
IDE P14735 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
PDCD1 Q15116 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PNLIP P16233 1/20 0.31
LMNA P02545 2/20 0.30
GSTP1 P09211 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8490063 0.84 PTGS1 (0.32) PTGS1ALOX5MAPTKMT2APOLB
SCHEMBL5266203 0.78 ALOX5 (0.41) PTGS1ALOX5MAPTKMT2APOLB
SCHEMBL9321549 0.77 ALOX5 (0.58) PTGS1ALOX5MAPTKMT2APOLB
SCHEMBL9285268 0.74 LMNA (0.55) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL21931411 0.74 LMNA (0.55) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL21929591 0.74 LMNA (0.55) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL21929589 0.74 LMNA (0.55) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL21131789 0.74 LMNA (0.55) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL21931412 0.74 LMNA (0.55) ALOX5MAPTKMT2AMEN1LMNA
SCHEMBL8187742 0.71 KMT2A (0.37) MAPTKMT2APOLBGAAIDE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999006392-A1 METHOD FOR PREPARING 2H-1 BENZOPYRANES AND SYNTHESIS INTERMEDIATES RHODIA CHIMIE (FR) 1999-02-11 WO disclosed